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Comput. Chem.
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1976
2002
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Publications
volume 26, number 2, 2002
P. C. Chen
,
S. C. Chen
Theoretical Study of the Internal Rotational Barriers in Nitrotoluenes, Nitrophenols, and Nitroanilines.
Comput. Chem.
26 (2) (2002)
Weixiang Zhao
,
Dezhao Chen
,
Shangxu Hu
Differential Fraction-based Kinetic Model for Simulating Hydrodesulfurization Process of Petroleum Fraction.
Comput. Chem.
26 (2) (2002)
Hong-Ping Xie
,
Jian-Hui Jiang
,
Guo-Li Shen
,
Ru-Qin Yu
Estimation of the Chemical Rank for the Three-way Data: A Principal Norm Vector Orthogonal Projection Approach.
Comput. Chem.
26 (2) (2002)
Jun-Feng Hao
,
Lu Xu
The Study on Automorphism Group of ESESOC.
Comput. Chem.
26 (2) (2002)
volume 26, number 3, 2002
Biye Ren
Novel Atom-type AI Indices for QSPR Studies of Alcohols.
Comput. Chem.
26 (3) (2002)
E. Cortazar
,
Aresatz Usobiaga
,
Luis A. Fernández
,
A. De Diego
,
Juan M. Madariaga
Software.
Comput. Chem.
26 (3) (2002)
L. T. Fan
,
Botond Bertók
,
Ferenc Friedler
A Graph-theoretic Method to Identify Candidate Mechanisms for Deriving the Rate Law of a Catalytic Reaction.
Comput. Chem.
26 (3) (2002)
Qianfeng Li
,
Lijun Dong
,
Runping Jia
,
Xingguo Chen
,
Zhide Hu
,
Bo Tao Fan
Development of a Quantitative Structure-property Relationship Model for Predicting the Electrophoretic Mobilities.
Comput. Chem.
26 (3) (2002)
Rein Hiob
,
Mati Karelson
QSPR Models Derived for the Kinetic Data of the Gas-phase Homolysis of the Carbon-methyl Bond.
Comput. Chem.
26 (3) (2002)
K. Senthilkumar
,
P. Kolandaivel
Post Hartree-Fock and Density Functional Theory Studies on Structure and Conformational Stability of Nitrosoethylene and Substituted Compounds of Nitrosoethylene.
Comput. Chem.
26 (3) (2002)
Yu-Dong Cai
,
Xiao-Jun Liu
,
Xue-biao Xu
,
Kuo-Chen Chou
Prediction of Protein Structural Classes by Support Vector Machines.
Comput. Chem.
26 (3) (2002)
Chun-Ting Zhang
,
Ju Wang
,
Ren Zhang
Using a Euclid Distance Discriminant Method to Find Protein Coding Genes in the Yeast Genome.
Comput. Chem.
26 (3) (2002)
volume 26, number 4, 2002
Francisco Elias Jorge
,
Cezar Laurence Barros
Universal Basis Sets for Low-lying Excited States of Some Positive and Negative Ions.
Comput. Chem.
26 (4) (2002)
Katrin Sak
,
Jaak Järv
,
Mati Karelson
'Strain Effect' Descriptors for ATP and ADP Derivatives with Modified Phosphate Groups.
Comput. Chem.
26 (4) (2002)
Pablo Duchowicz
,
Eduardo A. Castro
,
Andrey A. Toropov
Improved QSPR Analysis of Standard Entropy of Acyclic and Aromatic Compounds using Optimized Correlation Weights of Linear Graph Invariants.
Comput. Chem.
26 (4) (2002)
Krystian Kubica
Computer Simulation Studies on Significance of Lipid Polar Head Orientation.
Comput. Chem.
26 (4) (2002)
Przemyslaw Sanecki
,
Piotr Skital
A Comparison of the Multistep Consecutive Reduction Mode with the Multicomponent System Reduction Mode in Cyclic Voltammetry.
Comput. Chem.
26 (4) (2002)
Przemyslaw Sanecki
,
Piotr Skital
The Cyclic Voltammetry Simulation of a Competition Between Stepwise and Concerted Dissociative Electron Transfer, the Modeling of Alpha Apparent Variability, the Relationship Between Apparent and Elementary Kinetic Parameters.
Comput. Chem.
26 (4) (2002)
Timothy B. Terriberry
,
David F. Cox
,
Doug A. Bowman
A Tool for the Interactive 3D Visualization of Electronic Structure in Molecules and Solids.
Comput. Chem.
26 (4) (2002)
Biye Ren
Application of Novel Atom-type AI Topological Indices to QSPR Studies of Alkanes.
Comput. Chem.
26 (4) (2002)
Irina B. Svir
,
Oleksiy V. Klymenko
,
Matt S. Platz
'Kinfitsim' - A Software to Fit Kinetic Data to a User Selected Mechanism.
Comput. Chem.
26 (4) (2002)
M. James C. Crabbe
Bioinformatics - From Genomes to Drugs: 2 Volume Set; Thomas Lengauer (Ed.), 680 pages.
Comput. Chem.
26 (4) (2002)
Leon D. Betowski
,
Mark Enlow
,
Lee Riddick
The Phototoxicity of Polycyclic Aromatic Hydrocarbons: A Theoretical Study of Excited States and Correlation to Experiment.
Comput. Chem.
26 (4) (2002)
Yu-Dong Cai
,
Xiao-Jun Liu
,
Xue-biao Xu
,
Kuo-Chen Chou
Artificial Neural Network Method for Predicting Protein Secondary Structure Content.
Comput. Chem.
26 (4) (2002)
Werner Baumgartner
,
Detlev Drenckhahn
An Expectation-maximisation Algorithm for the Deconvolution of the Intrinsic Distribution of Single Molecule's Parameters.
Comput. Chem.
26 (4) (2002)
volume 26, number 5, 2002
Jaap Heringa
Local Weighting Schemes for Protein Multiple Sequence Alignment.
Comput. Chem.
26 (5) (2002)
Jean-Loup Risler
Developing Bioinformatics Computer Skills: C. Gibas, P. Jambeck, O'Reilly, 2001. ISBN 1-56592-664-1, 427Pages.
Comput. Chem.
26 (5) (2002)
Wentian Li
,
Pedro Bernaola-Galván
,
Fatameh Haghighi
,
Ivo Grosse
Applications of Recursive Segmentation to the Analysis of DNA Sequences.
Comput. Chem.
26 (5) (2002)
Andrzej K. Konopka
This Is Biology: The Science of the Living World: Ernst Mayr, Harvard University Press, Cambridge, MA, Publication Date, July 1998. ISBN: 0674884698, Paperback, 1st Ed., 352Pp.
Comput. Chem.
26 (5) (2002)
Yves Quentin
,
Julie Chabalier
,
Gwennaele Fichant
Strategies for the Identification, the Assembly and the Classification of Integrated Biological Systems in Completely Sequenced Genomes.
Comput. Chem.
26 (5) (2002)
David Ussery
,
Dikeos Mario Soumpasis
,
Søren Brunak
,
Hans Henrik Stærfeldt
,
Peder Worning
,
Anders Krogh
Bias of Purine Stretches in Sequenced Chromosomes.
Comput. Chem.
26 (5) (2002)
Andrzej K. Konopka
Mathematics of Genome Analysis: Jerome K. Percus, Cambridge University Press, Cambridge, 2002. Paperback, ISBN 0-521-58526-0, 139Pp.
Comput. Chem.
26 (5) (2002)
Alessandra Larizza
,
Wojciech Makalowski
,
Graziano Pesole
,
Cecilia Saccone
Evolutionary Dynamics of Mammalian MRNA Untranslated Regions by Comparative Analysis of Orthologous Human, Artiodactyl and Rodent Gene Pairs.
Comput. Chem.
26 (5) (2002)
Jean-Christophe Aude
,
Alexandra Louis
An Incremental Algorithm for Z-value Computations.
Comput. Chem.
26 (5) (2002)
Alexandra Louis
,
Hélène Chiapello
,
Cécilia Fabry
,
Emmanuelle Ollivier
,
Alain Hénaut
Deciphering Arabidopsis Thaliana Gene Neighborhoods Through Bibliographic Co-citations.
Comput. Chem.
26 (5) (2002)
Andrzej K. Konopka
Grand Metaphors of Biology in the Genome Era.
Comput. Chem.
26 (5) (2002)
Fariza Tahi
,
Manolo Gouy
,
Mireille Régnier
Automatic RNA Secondary Structure Prediction with a Comparative Approach.
Comput. Chem.
26 (5) (2002)
Jean-Paul Comet
,
Jacques Henry
Pairwise Sequence Alignment using a PROSITE Pattern-derived Similarity Score.
Comput. Chem.
26 (5) (2002)
Gisèle Bronner
,
Bruno Spataro
,
Michel Page
,
Christian Gautier
,
François Rechenmann
Modeling Comparative Mapping using Objects and Associations.
Comput. Chem.
26 (5) (2002)
Jean-Loup Risler
Bioinformatics: A Practical Guide to the Analysis of Genes and Proteins: Edited by A.D. Baxevanis, B.F.F. Ouellette, Second Ed., Wiley Interscience, New York, 2001. ISBN 0-471-38391-0, 470Pages.
Comput. Chem.
26 (5) (2002)
Alexandre G. de Brevern
,
France Loirat
,
Anne Badel-Chagnon
,
Cécile André
,
Pierre Vincens
,
Serge A. Hazout
Genome Compartimentation by a Hybrid Chromosome Model (HM). Application to Saccharomyces Cerevisae Subtelomeres.
Comput. Chem.
26 (5) (2002)
volume 26, number 6, 2002
Byungwhan Kim
,
Jang Hyun Park
,
Beom-Soo Kim
Fuzzy Logic Model of Langmuir Probe Discharge Data.
Comput. Chem.
26 (6) (2002)
Gennadi M. Ostrovsky
,
Luke E. K. Achenie
,
Manish Sinha
On the Solution of Mixed-integer Nonlinear Programming Models for Computer Aided Molecular Design.
Comput. Chem.
26 (6) (2002)
Kiyoshi Hasegawa
,
Shigeo Matsuoka
,
Masamoto Arakawa
,
Kimito Funatsu
New Molecular Surface-based 3D-QSAR Method using Kohonen Neural Network and 3-way PLS.
Comput. Chem.
26 (6) (2002)
Leslaw K. Bieniasz
Use of the Numerov Method to Improve the Accuracy of the Spatial Discretisation in Finite-difference Electrochemical Kinetic Simulations.
Comput. Chem.
26 (6) (2002)
Hong-Ping Xie
,
Jian-Hui Jiang
,
Hui Cui
,
Guo-Li Shen
,
Ru-Qin Yu
A New Redundant Variable Pruning Approach - minor Latent Variable Perturbation-PLS Used for QSAR Studies on Anti-HIV Drugs.
Comput. Chem.
26 (6) (2002)
Marcelo J. P. Ferreira
,
Francimeiry C. Oliveira
,
Sandra A. V. Alvarenga
,
Patrícia A. T. Macari
,
Gilberto V. Rodrigues
,
Vicente de Paulo Emerenciano
Automatic Identification by 13C NMR of Substituent Groups Bonded in Natural Product Skeletons.
Comput. Chem.
26 (6) (2002)
Constanza Cárdenas
,
Mateo Obregón
,
Eugenio-José Llanos
,
Eduardo Machado
,
Hugo-Javier Bohórquez
,
José-Luis Villaveces
,
Manuel-Elkin Patarroyo
Constructing a Useful Tool for Characterizing Amino Acid Conformers by Means of Quantum Chemical and Graph Theory Indices.
Comput. Chem.
26 (6) (2002)
X. Chen
,
Zhi Liang Ji
,
D. G. Zhi
,
Yu Zong Chen
CLiBE: A Database of Computed Ligand Binding Energy for Ligand-receptor Complexes.
Comput. Chem.
26 (6) (2002)
Joachim Petit
,
Jure Zupan
,
Laurence Leherte
,
Daniel P. Vercauteren
Application of a Kohonen Neural Network to the Analysis of Data Regarding the Alkylation of Toluene with Methanol Catalyzed by ZSM-5Type Zeolites.
Comput. Chem.
26 (6) (2002)